2-(carboxymethyl)-2-ethyl-4-methyl-5-(4-methylphenyl)carbonyl-pyrrole-3-carboxylic acid

Systemtic Name: 2-(carboxymethyl)-2-ethyl-4-methyl-5-(4-methylphenyl)carbonyl-pyrrole-3-carboxylic acid Openeye Name: 2-(carboxymethyl)-2-ethyl-4-methyl-5-(4-methylbenzoyl)pyrrole-3-carboxylic acid CAS Name: 2-(carboxymethyl)-2-ethyl-4-methyl-5-[(4-methylphenyl)-oxomethyl]-3-pyrrolecarboxylic acid IUPAC Name: 2-(carboxymethyl)-2-ethyl-4-methyl-5-(4-methylbenzoyl)pyrrole-3-carboxylic acid Traditional Name: 2-(carboxymethyl)-2-ethyl-4-methyl-5-p-toluoyl-pyrrole-3-carboxylic acid Formula: C18H19NO5 MolecularWeight: 329.34716

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=C(C(=N1)C(=O)C2=CC=C(C=C2)C)C)C(=O)O)CC(=O)O

Isomeric SMILES

CCC1(C(=C(C(=N1)C(=O)C2=CC=C(C=C2)C)C)C(=O)O)CC(=O)O

InChI

InChI=1S/C18H19NO5/c1-4-18(9-13(20)21)14(17(23)24)11(3)15(19-18)16(22)12-7-5-10(2)6-8-12/h5-8H,4,9H2,1-3H3,(H,20,21)(H,23,24)